3,6-dimethyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide

Systemtic Name: 3,6-dimethyl-1-oxidanylidene-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide Openeye Name: 3,6-dimethyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)isochromane-3-carboxamide CAS Name: 3,6-dimethyl-1-oxo-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3,6-dimethyl-1-oxo-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3,6-dimethyl-N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]isochroman-3-carboxamide Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2(CC3=C(C=CC(=C3)C)C(=O)O2)C

InChI

InChI=1S/C17H19N3O3S2/c1-4-7-24-16-20-19-15(25-16)18-14(22)17(3)9-11-8-10(2)5-6-12(11)13(21)23-17/h5-6,8H,4,7,9H2,1-3H3,(H,18,19,22)